4-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoylamino]benzenesulfonyl fluoride; 2-methoxyethanol

Systemtic Name: 4-[[3-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)phenyl]carbamoylamino]benzenesulfonyl fluoride; 2-methoxyethanol Openeye Name: 4-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoylamino]benzenesulfonyl fluoride; 2-methoxyethanol CAS Name: 4-[[[3-(2-amino-6-oxo-3H-purin-9-yl)anilino]-oxomethyl]amino]benzenesulfonyl fluoride; 2-methoxyethanol IUPAC Name: 4-[[3-(2-amino-6-oxo-3H-purin-9-yl)phenyl]carbamoylamino]benzenesulfonyl fluoride; 2-methoxyethanol Traditional Name: 4-[[3-(2-amino-6-keto-3H-purin-9-yl)phenyl]carbamoylamino]benzenesulfonyl fluoride; 2-methoxyethanol Formula: C21H22FN7O6S MolecularWeight: 519.506083

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Descriptors Computed from Structure

Canonical SMILES:

COCCO.C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)F)N3C=NC4=C3NC(=NC4=O)N

Isomeric SMILES

COCCO.C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)S(=O)(=O)F)N3C=NC4=C3NC(=NC4=O)N

InChI

InChI=1S/C18H14FN7O4S.C3H8O2/c19-31(29,30)13-6-4-10(5-7-13)22-18(28)23-11-2-1-3-12(8-11)26-9-21-14-15(26)24-17(20)25-16(14)27;1-5-3-2-4/h1-9H,(H2,22,23,28)(H3,20,24,25,27);4H,2-3H2,1H3